methyl 5-bis(oxidanyl)phosphinothioyloxy-1-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-bis(oxidanyl)phosphinothioyloxy-1-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-dihydroxyphosphinothioyloxy-1-methyl-pyrazole-3-carboxylate CAS Name: 5-dihydroxyphosphinothioyloxy-1-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-dihydroxyphosphinothioyloxy-1-methylpyrazole-3-carboxylate Traditional Name: 5-dihydroxythiophosphoryloxy-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C6H9N2O5PS MolecularWeight: 252.184821

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)OC)OP(=S)(O)O

Isomeric SMILES

CN1C(=CC(=N1)C(=O)OC)OP(=S)(O)O

InChI

InChI=1S/C6H9N2O5PS/c1-8-5(13-14(10,11)15)3-4(7-8)6(9)12-2/h3H,1-2H3,(H2,10,11,15)